Amber Archive Oct 2004 By Thread
374 messages
:
Starting
Fri Oct 01 2004 - 15:53:01 PDT,
Ending
Sun Oct 31 2004 - 18:53:00 PST
This period
:
Most recent messages
sort by
: [
author
] [
date
] [
subject
] [
attachment
]
AMBER: (no subject)
Rasha Radwan
(Fri Oct 01 2004 - 07:30:53 PDT)
AMBER: hydrogen bonds
Jessica Koplin
(Fri Oct 01 2004 - 09:24:29 PDT)
Re: AMBER: hydrogen bonds
Tim Meyer
(Tue Oct 05 2004 - 04:11:09 PDT)
AMBER: frcmod_dmso
Vincent Bisetty
(Fri Oct 01 2004 - 14:21:42 PDT)
RE: AMBER: frcmod_dmso
Ross Walker
(Fri Oct 01 2004 - 15:05:05 PDT)
RE: AMBER: frcmod_dmso
Ross Walker
(Tue Oct 05 2004 - 13:10:41 PDT)
AMBER: amber 8 error
Abd Ghani Bin Abd Aziz
(Sat Oct 02 2004 - 00:25:30 PDT)
Re: AMBER: amber 8 error
Tomas Linhart
(Sat Oct 02 2004 - 01:04:43 PDT)
AMBER: small molecule simulation
hj zou
(Sat Oct 02 2004 - 22:59:55 PDT)
Re: AMBER: small molecule simulation
Carlos Simmerling
(Sun Oct 03 2004 - 05:54:40 PDT)
AMBER: antechamber, mopac RESTART
opitz.che.udel.edu
(Sun Oct 03 2004 - 11:41:24 PDT)
AMBER: Running on MPI
wish_71
(Sun Oct 03 2004 - 18:59:58 PDT)
Re: AMBER: Running on MPI
Jiten
(Sun Oct 03 2004 - 20:08:54 PDT)
Re: AMBER: Running on MPI
Carlos Simmerling
(Mon Oct 04 2004 - 04:37:18 PDT)
Re: AMBER: Running on MPI
wish_71
(Tue Oct 05 2004 - 03:17:55 PDT)
Re: AMBER: Running on MPI
Carlos Simmerling
(Tue Oct 05 2004 - 05:16:59 PDT)
Re: AMBER: Running on MPI
wish_71
(Tue Oct 05 2004 - 19:43:16 PDT)
Re: AMBER: Running on MPI
Carlos Simmerling
(Wed Oct 06 2004 - 07:33:19 PDT)
AMBER: mdinfo on amber6
Abd Ghani Bin Abd Aziz
(Sun Oct 03 2004 - 22:26:41 PDT)
Re: AMBER: mdinfo on amber6
Tomas Linhart
(Mon Oct 04 2004 - 00:49:29 PDT)
Re: AMBER: mdinfo on amber6
Carlos Simmerling
(Mon Oct 04 2004 - 04:40:03 PDT)
AMBER: neutral Arg, charged Tyr ??
Peter Trodler
(Mon Oct 04 2004 - 00:25:49 PDT)
AMBER: amber with MPI
Stefano.Pieraccini.unimi.it
(Mon Oct 04 2004 - 07:40:16 PDT)
AMBER: Phosphoserine
Venkata S Koppuravuri
(Mon Oct 04 2004 - 12:26:28 PDT)
AMBER: Is AME equal to NME?
myang.vitamin.uni.cc
(Mon Oct 04 2004 - 12:15:46 PDT)
Re: AMBER: Is AME equal to NME?
myang.vitamin.uni.cc
(Mon Oct 04 2004 - 13:07:12 PDT)
AMBER: building a small molecule
mathew k varghese
(Tue Oct 05 2004 - 02:01:09 PDT)
Re: AMBER: building a small molecule
Oliver Hucke
(Tue Oct 05 2004 - 10:15:00 PDT)
AMBER: Parameters for phosphorylated aminoacids
Nadine Homeyer
(Tue Oct 05 2004 - 08:21:31 PDT)
Re: AMBER: Parameters for phosphorylated aminoacids
Carlos Simmerling
(Tue Oct 05 2004 - 08:58:07 PDT)
Re: AMBER: Parameters for phosphorylated aminoacids
Nadine Homeyer
(Wed Oct 06 2004 - 03:57:14 PDT)
AMBER: parameter error for a ligand
Sivanesan Dakshanamurthy
(Tue Oct 05 2004 - 09:59:54 PDT)
Re: AMBER: parameter error for a ligand
David A. Case
(Tue Oct 05 2004 - 13:23:01 PDT)
Re: AMBER: parameter error for a ligand
Sivanesan Dakshanamurthy
(Tue Oct 05 2004 - 14:45:51 PDT)
AMBER: problem with protonate
Richard Stefl
(Tue Oct 05 2004 - 10:44:05 PDT)
Re: AMBER: problem with protonate
myang.vitamin.uni.cc
(Tue Oct 05 2004 - 13:36:36 PDT)
Re: AMBER: problem with protonate
David A. Case
(Tue Oct 05 2004 - 14:31:12 PDT)
AMBER: question about nmode
xiaowei li
(Tue Oct 05 2004 - 11:09:15 PDT)
Re: AMBER: question about nmode
David A. Case
(Tue Oct 05 2004 - 12:03:52 PDT)
AMBER: Note to all concerning filtering of messages posted to the amber list.
Ross Walker
(Tue Oct 05 2004 - 12:51:34 PDT)
Re: AMBER: Note to all concerning filtering of messages posted to the amber list.
Stef
(Wed Oct 06 2004 - 01:33:17 PDT)
AMBER: Compiling using pgf90
David Lomelin
(Tue Oct 05 2004 - 18:33:22 PDT)
Re: AMBER: Compiling using pgf90
Craig TOEPFER
(Wed Oct 06 2004 - 09:52:06 PDT)
Re: AMBER: Compiling using pgf90
David Lomelin
(Wed Oct 06 2004 - 13:30:34 PDT)
AMBER: Comparison of simulation results on amber7 and amber 8
anshul.imtech.res.in
(Wed Oct 06 2004 - 13:28:04 PDT)
Re: AMBER: Comparison of simulation results on amber7 and amber 8
Carlos Simmerling
(Wed Oct 06 2004 - 06:36:03 PDT)
Re: AMBER: Comparison of simulation results on amber7 and amber 8
Sergio E. Wong
(Wed Oct 06 2004 - 09:54:44 PDT)
Re: AMBER: Comparison of simulation results on amber7 and amber 8
Carlos Simmerling
(Wed Oct 06 2004 - 10:21:54 PDT)
AMBER: atoms out of bounds
Balvinder Singh
(Thu Oct 07 2004 - 14:27:45 PDT)
Re: AMBER: atoms out of bounds
Carlos Simmerling
(Thu Oct 07 2004 - 05:17:15 PDT)
AMBER: ptraj and PCA
J Pang
(Wed Oct 06 2004 - 03:54:17 PDT)
AMBER: Antechamber on cluster with queue?
opitz.che.udel.edu
(Wed Oct 06 2004 - 08:08:25 PDT)
Re: AMBER: Antechamber on cluster with queue?
David A. Case
(Wed Oct 06 2004 - 08:24:17 PDT)
Re: AMBER: Antechamber on cluster with queue?
opitz.che.udel.edu
(Wed Oct 06 2004 - 09:06:43 PDT)
Re: AMBER: Antechamber on cluster with queue?
David A. Case
(Wed Oct 06 2004 - 09:31:53 PDT)
AMBER: GIbbs : failure to start
sachin patil
(Wed Oct 06 2004 - 11:01:23 PDT)
AMBER: AddIons
Vincent Bisetty
(Thu Oct 07 2004 - 05:15:03 PDT)
AMBER: ptraj analyze modes question
Vlad Cojocaru
(Thu Oct 07 2004 - 06:17:02 PDT)
AMBER: rms fluctuation units from ptraj
Vlad Cojocaru
(Thu Oct 07 2004 - 06:36:03 PDT)
Re: AMBER: AddIons
Bill Ross
(Thu Oct 07 2004 - 12:36:24 PDT)
AMBER: solute leaving PBC box
opitz.che.udel.edu
(Thu Oct 07 2004 - 14:24:47 PDT)
Re: AMBER: solute leaving PBC box
Carlos Simmerling
(Thu Oct 07 2004 - 14:48:12 PDT)
Re: AMBER: solute leaving PBC box
myang.vitamin.uni.cc
(Thu Oct 07 2004 - 15:00:09 PDT)
Re: AMBER: solute leaving PBC box
opitz.che.udel.edu
(Thu Oct 07 2004 - 15:01:19 PDT)
Re: AMBER: solute leaving PBC box
Carlos Simmerling
(Thu Oct 07 2004 - 15:43:49 PDT)
Re: AMBER: solute leaving PBC box
opitz.che.udel.edu
(Fri Oct 08 2004 - 06:43:06 PDT)
Re: AMBER: solute leaving PBC box
Carlos Simmerling
(Fri Oct 08 2004 - 07:02:42 PDT)
AMBER: Problem with AMBER/ANAL
Daniel Wetzler
(Fri Oct 08 2004 - 01:31:29 PDT)
Re: AMBER: Problem with AMBER/ANAL
David A. Case
(Fri Oct 08 2004 - 09:15:12 PDT)
AMBER: MAXATOM failure in ANTECHAMBER
Cenk Andac
(Fri Oct 08 2004 - 02:31:18 PDT)
Re: AMBER: MAXATOM failure in ANTECHAMBER
david.evans.ulsop.ac.uk
(Fri Oct 08 2004 - 03:09:18 PDT)
AMBER: problems with dihedrals
Petr Kulhanek
(Fri Oct 08 2004 - 05:53:03 PDT)
Re: AMBER: problems with dihedrals
Carlos Simmerling
(Fri Oct 08 2004 - 06:27:44 PDT)
Re: AMBER: problems with dihedrals - extended information
Petr Kulhanek
(Sun Oct 17 2004 - 08:39:31 PDT)
Re: AMBER: problems with dihedrals - extended information
David A. Case
(Mon Oct 18 2004 - 10:42:50 PDT)
Re: AMBER: problems with dihedrals - extended information
Bill Ross
(Mon Oct 18 2004 - 11:04:33 PDT)
AMBER: generalized Born parameters
Peter Varnai
(Fri Oct 08 2004 - 07:16:08 PDT)
Re: AMBER: generalized Born parameters
David A. Case
(Fri Oct 08 2004 - 09:08:02 PDT)
AMBER: sander8
Vincent Bisetty
(Fri Oct 08 2004 - 07:59:01 PDT)
Re: AMBER: sander8
Carlos Simmerling
(Fri Oct 08 2004 - 08:07:23 PDT)
Re: AMBER: sander8
Vincent Bisetty
(Sat Oct 09 2004 - 09:13:55 PDT)
Re: AMBER: sander8
Carlos Simmerling
(Sat Oct 09 2004 - 10:39:34 PDT)
AMBER: A torsion parameter in AMBER2003 force field
Scott E. Boesch
(Fri Oct 08 2004 - 09:23:41 PDT)
Re: AMBER: A torsion parameter in AMBER2003 force field
David A. Case
(Fri Oct 08 2004 - 09:53:21 PDT)
RE: AMBER: A torsion parameter in AMBER2003 force field
Yong Duan
(Fri Oct 08 2004 - 10:41:41 PDT)
AMBER: restrain one tosion angle
Yaroslava Yingling
(Fri Oct 08 2004 - 12:02:01 PDT)
Re: AMBER: restrain one tosion angle
Carlos Simmerling
(Fri Oct 08 2004 - 12:10:16 PDT)
Re: AMBER: restrain one tosion angle
Yaroslava Yingling
(Fri Oct 08 2004 - 12:20:09 PDT)
Re: AMBER: restrain one tosion angle
Carlos Simmerling
(Fri Oct 08 2004 - 13:50:34 PDT)
AMBER: Box information from Amber
Priti Hansia
(Sat Oct 09 2004 - 04:19:46 PDT)
Re: AMBER: Box information from Amber
Carlos Simmerling
(Sat Oct 09 2004 - 05:10:56 PDT)
Re: AMBER: Box information from Amber
Priti Hansia
(Sat Oct 09 2004 - 10:51:16 PDT)
Re: AMBER: Box information from Amber
Carlos Simmerling
(Sat Oct 09 2004 - 11:00:43 PDT)
AMBER: about antechamber
MURAT CETINKAYA
(Sat Oct 09 2004 - 18:48:52 PDT)
Re: AMBER: about antechamber
David A. Case
(Mon Oct 11 2004 - 09:13:05 PDT)
AMBER: Amber8 compilation in Dec-Alpha
Jiten
(Sun Oct 10 2004 - 09:22:01 PDT)
RE: AMBER: Amber8 compilation in Dec-Alpha
Ross Walker
(Mon Oct 11 2004 - 10:09:40 PDT)
AMBER: exclusion list
Guanglei Cui
(Sun Oct 10 2004 - 09:34:38 PDT)
Re: AMBER: exclusion list
Guanglei Cui
(Mon Oct 11 2004 - 08:26:20 PDT)
AMBER: nmode error
Xiao He
(Mon Oct 11 2004 - 00:10:22 PDT)
Re: AMBER: nmode error
David A. Case
(Mon Oct 11 2004 - 08:09:18 PDT)
AMBER: question about mm_pbsa and nmode
Xiao He
(Mon Oct 11 2004 - 00:43:53 PDT)
AMBER: AMBER 8 installation trouble
Atro Tossavainen
(Mon Oct 11 2004 - 01:36:44 PDT)
Re: AMBER: AMBER 8 installation trouble
David A. Case
(Mon Oct 11 2004 - 08:43:44 PDT)
Re: AMBER: AMBER 8 installation trouble
Atro Tossavainen
(Tue Oct 12 2004 - 00:29:23 PDT)
Re: AMBER: AMBER 8 installation trouble
David A. Case
(Tue Oct 12 2004 - 10:28:14 PDT)
Re: AMBER: AMBER 8 installation trouble
Atro Tossavainen
(Tue Oct 12 2004 - 23:56:19 PDT)
Re: AMBER: AMBER 8 installation trouble
Atro Tossavainen
(Fri Oct 15 2004 - 00:20:54 PDT)
Re: AMBER: AMBER 8 installation trouble
David A. Case
(Fri Oct 15 2004 - 07:51:59 PDT)
AMBER: AMBER 8 installation - continued
Atro Tossavainen
(Mon Oct 11 2004 - 01:57:45 PDT)
RE: AMBER: AMBER 8 installation - continued
Ross Walker
(Mon Oct 11 2004 - 10:17:50 PDT)
Re: AMBER: AMBER 8 installation - continued
Atro Tossavainen
(Tue Oct 12 2004 - 00:37:24 PDT)
AMBER: order parameter
Jessica Koplin
(Sun Oct 17 2004 - 03:30:44 PDT)
Re: AMBER: order parameter
Carlos Simmerling
(Sun Oct 17 2004 - 06:14:43 PDT)
AMBER: Hot solvent/cold solute reference
Stef
(Mon Oct 11 2004 - 03:56:30 PDT)
Re: AMBER: Hot solvent/cold solute reference
Andreas Svrcek-Seiler
(Mon Oct 11 2004 - 06:16:18 PDT)
Re: AMBER: Hot solvent/cold solute reference
Stef
(Mon Oct 11 2004 - 09:41:10 PDT)
AMBER: Distance Restraints
Nelson Fonseca
(Mon Oct 11 2004 - 05:56:23 PDT)
Re: AMBER: Distance Restraints
David A. Case
(Mon Oct 11 2004 - 08:17:39 PDT)
AMBER: Question about restart MD
Xin Hu
(Mon Oct 11 2004 - 11:38:38 PDT)
Re: AMBER: Question about restart MD
Carlos Simmerling
(Mon Oct 11 2004 - 11:55:39 PDT)
Re: AMBER: Question about restart MD
myang.vitamin.uni.cc
(Mon Oct 11 2004 - 12:05:04 PDT)
RE: AMBER: Question about restart MD
Ross Walker
(Mon Oct 11 2004 - 12:06:09 PDT)
AMBER: Questions about MD sampling
Xin Hu
(Tue Oct 12 2004 - 08:03:06 PDT)
Re: AMBER: Questions about MD sampling
Thomas E. Cheatham, III
(Tue Oct 12 2004 - 09:12:18 PDT)
AMBER: Plot B-factor extracted from PDB file
Xin Hu
(Wed Oct 13 2004 - 07:41:29 PDT)
RE: AMBER: Questions about MD sampling
Ross Walker
(Tue Oct 12 2004 - 10:25:30 PDT)
RE: AMBER: Questions about MD sampling
Ross Walker
(Tue Oct 12 2004 - 10:31:12 PDT)
AMBER: how to set up more than 3 groups constrain
¬ǿ
(Mon Oct 11 2004 - 11:33:51 PDT)
Re: AMBER: About missing residues
FyD
(Mon Oct 11 2004 - 22:27:58 PDT)
AMBER: process_mdout.perl
bybaker.itsa.ucsf.edu
(Mon Oct 11 2004 - 23:08:06 PDT)
Re: AMBER: process_mdout.perl
Donald Thomas
(Mon Oct 11 2004 - 23:23:13 PDT)
Re: AMBER: process_mdout.perl
Tomas Linhart
(Tue Oct 12 2004 - 00:43:28 PDT)
AMBER: RE:sander8
Vincent Bisetty
(Tue Oct 12 2004 - 00:19:35 PDT)
Re: AMBER: RE:sander8
Carlos Simmerling
(Tue Oct 12 2004 - 04:21:02 PDT)
AMBER: More installation problems on Solaris 8
Atro Tossavainen
(Tue Oct 12 2004 - 00:44:01 PDT)
AMBER: Parameter for chlorophyll
Fajar Rakhman Wibowo
(Tue Oct 12 2004 - 03:46:27 PDT)
AMBER: rms fluct and displacement in modes analysis
Vlad Cojocaru
(Tue Oct 12 2004 - 03:47:34 PDT)
Re: AMBER: rms fluct and displacement in modes analysis
David A. Case
(Tue Oct 12 2004 - 09:19:48 PDT)
AMBER: klambdas and Weights for Gaussian Quadrature
Nelson Fonseca
(Tue Oct 12 2004 - 10:01:33 PDT)
Re: AMBER: klambdas and Weights for Gaussian Quadrature
David A. Case
(Tue Oct 12 2004 - 16:37:11 PDT)
AMBER: Re: rms fluct and displacement in modes analysis
Vlad Cojocaru
(Tue Oct 12 2004 - 10:39:33 PDT)
AMBER: Carnal & Radius of gyration
opitz.che.udel.edu
(Tue Oct 12 2004 - 14:29:26 PDT)
Re: AMBER: Carnal & Radius of gyration
Bill Ross
(Tue Oct 12 2004 - 14:51:30 PDT)
AMBER: PBSA parameter question (Radii and Charges)
Marc Baaden
(Tue Oct 12 2004 - 17:01:19 PDT)
Re: AMBER: PBSA parameter question (Radii and Charges)
Ray Luo
(Wed Oct 13 2004 - 09:38:38 PDT)
AMBER: process_mdout.perl: work now
bybaker.itsa.ucsf.edu
(Tue Oct 12 2004 - 18:32:49 PDT)
AMBER: Re: process_mdout.perl
bybaker.itsa.ucsf.edu
(Tue Oct 12 2004 - 18:36:45 PDT)
AMBER: A question on AMBER8 installation
Hwankyu Lee
(Tue Oct 12 2004 - 21:39:33 PDT)
RE: AMBER: A question on AMBER8 installation
Ross Walker
(Tue Oct 12 2004 - 22:43:49 PDT)
Re: AMBER: A question on AMBER8 installation
David A. Case
(Wed Oct 13 2004 - 07:58:58 PDT)
RE: AMBER: A question on AMBER8 installation
Bill Ross
(Wed Oct 13 2004 - 10:13:48 PDT)
Re: AMBER: A question on AMBER8 installation
Scott Brozell
(Wed Oct 13 2004 - 10:24:51 PDT)
Re: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Wed Oct 13 2004 - 10:53:30 PDT)
RE: AMBER: A question on AMBER8 installation
Ross Walker
(Wed Oct 13 2004 - 13:21:27 PDT)
RE: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Thu Oct 14 2004 - 09:04:18 PDT)
Re: AMBER: A question on AMBER8 installation
David A. Case
(Thu Oct 14 2004 - 09:45:30 PDT)
RE: AMBER: A question on AMBER8 installation
Ross Walker
(Thu Oct 14 2004 - 09:50:25 PDT)
RE: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Thu Oct 14 2004 - 10:57:45 PDT)
RE: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Thu Oct 14 2004 - 11:13:33 PDT)
Re: AMBER: A question on AMBER8 installation
David A. Case
(Thu Oct 14 2004 - 11:22:14 PDT)
Re: AMBER: A question on AMBER8 installation
M. L. Dodson
(Thu Oct 14 2004 - 11:41:15 PDT)
Re: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Thu Oct 14 2004 - 20:01:05 PDT)
Re: AMBER: A question on AMBER8 installation
David A. Case
(Fri Oct 15 2004 - 07:58:29 PDT)
Re: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Tue Oct 19 2004 - 13:43:48 PDT)
Re: AMBER: A question on AMBER8 installation
David A. Case
(Tue Oct 19 2004 - 16:27:08 PDT)
Re: AMBER: A question on AMBER8 installation
Hwankyu Lee
(Tue Oct 19 2004 - 21:12:20 PDT)
Re: AMBER: A question on AMBER8 installation
David A. Case
(Tue Oct 19 2004 - 22:04:36 PDT)
Re: AMBER: A question on AMBER8 installation
Robert Duke
(Wed Oct 20 2004 - 05:35:00 PDT)
AMBER: MMPBSA PB parameters - PARSE implementation in Amber
Marc Baaden
(Wed Oct 13 2004 - 10:42:34 PDT)
AMBER: Question about Amino acid mutations
sachin patil
(Wed Oct 13 2004 - 16:03:22 PDT)
AMBER: errors in SGI
Xiao He
(Thu Oct 14 2004 - 00:08:42 PDT)
AMBER: Problem with EDIT (AMBER 5)
Daniel Wetzler
(Thu Oct 14 2004 - 04:53:45 PDT)
Re: AMBER: Problem with EDIT (AMBER 5)
Daniel Wetzler
(Thu Oct 14 2004 - 05:23:32 PDT)
Re: AMBER: errors in SGI
David A. Case
(Thu Oct 14 2004 - 08:04:24 PDT)
AMBER: Amber8 - Energy Calculations
Nhat-hang Duong
(Thu Oct 14 2004 - 08:53:29 PDT)
Re: AMBER: Amber8 - Energy Calculations
David A. Case
(Thu Oct 14 2004 - 10:55:38 PDT)
AMBER: AM1-BCC charges
Xin Hu
(Tue Oct 26 2004 - 17:19:04 PDT)
Re: AMBER: AM1-BCC charges
Oliver Hucke
(Tue Oct 26 2004 - 18:29:02 PDT)
Re: Re: AMBER: errors in SGI
Xiao He
(Thu Oct 14 2004 - 09:09:40 PDT)
Re: Re: AMBER: errors in SGI
David A. Case
(Thu Oct 14 2004 - 09:33:32 PDT)
RE: Re: AMBER: errors in SGI
Ross Walker
(Thu Oct 14 2004 - 09:34:46 PDT)
AMBER: modes analysis in ptraj
Vlad Cojocaru
(Thu Oct 14 2004 - 05:13:14 PDT)
Re: AMBER: modes analysis in ptraj
David A. Case
(Fri Oct 15 2004 - 08:18:50 PDT)
AMBER: distance between images
riccardo nifosi
(Thu Oct 14 2004 - 07:56:40 PDT)
Re: AMBER: distance between images
Thomas E. Cheatham, III
(Thu Oct 14 2004 - 08:51:33 PDT)
AMBER: mm-pbsa problem
Dawei Zhang
(Thu Oct 14 2004 - 07:36:03 PDT)
AMBER: amber8 compilation on AIX (regatta)
SEKIJIMA Masakazu
(Thu Oct 14 2004 - 06:41:40 PDT)
Re: AMBER: amber8 compilation on AIX (regatta)
David A. Case
(Thu Oct 14 2004 - 10:36:28 PDT)
Re: AMBER: distance between images
Bill Ross
(Thu Oct 14 2004 - 08:09:11 PDT)
AMBER: (no subject)
HL Eastwood
(Thu Oct 14 2004 - 09:33:34 PDT)
AMBER: Problem with installing Amber8: Where are the MK libraries?
HL Eastwood
(Thu Oct 14 2004 - 09:34:54 PDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries?
Ross Walker
(Thu Oct 14 2004 - 10:00:02 PDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries?
HL Eastwood
(Thu Oct 14 2004 - 10:42:54 PDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries?
Ross Walker
(Thu Oct 14 2004 - 11:06:52 PDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries?
Atro Tossavainen
(Thu Oct 14 2004 - 23:24:13 PDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries?
Atro Tossavainen
(Fri Oct 15 2004 - 00:13:55 PDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries?
Ross Walker
(Fri Oct 15 2004 - 00:29:47 PDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries?
Ross Walker
(Fri Oct 15 2004 - 00:26:32 PDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries?
Atro Tossavainen
(Fri Oct 15 2004 - 02:59:29 PDT)
Re: AMBER: Amber8: ifort 8.0.046 Woo hoo!
HL Eastwood
(Fri Oct 15 2004 - 03:36:57 PDT)
Re: AMBER: Amber8: ifort 8.0.046 Woo hoo!
Atro Tossavainen
(Fri Oct 15 2004 - 03:55:27 PDT)
Re: AMBER: Amber8: ifort 8.0.046 Woo hoo!
Atro Tossavainen
(Fri Oct 15 2004 - 05:38:59 PDT)
AMBER: pmemd and ifort 8.1
Niko Jukarainen
(Fri Oct 15 2004 - 06:14:03 PDT)
Re: AMBER: pmemd and ifort 8.1
Robert Duke
(Fri Oct 15 2004 - 10:10:08 PDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries?
Andreas Svrcek-Seiler
(Thu Oct 14 2004 - 10:42:35 PDT)
AMBER: Use of intel compilers v8.1 for Amber 8.
Ross Walker
(Thu Oct 14 2004 - 11:13:15 PDT)
AMBER: normal mode analysis after energy minimizaiton using sander
xiaowei li
(Thu Oct 14 2004 - 14:57:30 PDT)
Re: AMBER: normal mode analysis after energy minimizaiton using sander
David A. Case
(Thu Oct 14 2004 - 16:35:01 PDT)
AMBER: Curves 5.3
Mu Yuguang \(Dr\)
(Thu Oct 14 2004 - 19:57:57 PDT)
AMBER: Amber 8 - OS support.
Poh-Guan Khoo
(Thu Oct 14 2004 - 22:54:27 PDT)
AMBER: question about molsurf
Xiao He
(Fri Oct 15 2004 - 01:13:05 PDT)
Re: AMBER: question about molsurf
David A. Case
(Fri Oct 15 2004 - 08:28:10 PDT)
AMBER: ptraj and clustering
Fabian Boes
(Fri Oct 15 2004 - 01:15:51 PDT)
AMBER: difference in GBSOL in amber7 and amber8
Xiao He
(Fri Oct 15 2004 - 04:11:11 PDT)
Re: AMBER: difference in GBSOL in amber7 and amber8
David A. Case
(Fri Oct 15 2004 - 08:07:04 PDT)
AMBER: Trajectory corruption
Steve Seibold
(Fri Oct 15 2004 - 06:48:50 PDT)
Re: AMBER: Trajectory corruption
Carlos Simmerling
(Fri Oct 15 2004 - 07:54:14 PDT)
Re: AMBER: Trajectory corruption
Adrian E. Roitberg
(Fri Oct 15 2004 - 10:06:23 PDT)
Re: AMBER: Trajectory corruption
Bill Ross
(Fri Oct 15 2004 - 11:00:59 PDT)
AMBER: from gaussian to antechamber
Cai, Yufeng
(Fri Oct 15 2004 - 11:14:48 PDT)
Re: AMBER: from gaussian to antechamber
Robyn Ayscue
(Fri Oct 15 2004 - 11:41:56 PDT)
AMBER: changepot
Cai, Yufeng
(Fri Oct 15 2004 - 11:33:08 PDT)
Re: AMBER: changepot & mol2 file
FyD
(Fri Oct 15 2004 - 11:59:46 PDT)
AMBER: H bond calculation of CHARMM trajactory using PTRAJ
anshul.imtech.res.in
(Fri Oct 15 2004 - 21:59:33 PDT)
Re: AMBER: H bond calculation of CHARMM trajactory using PTRAJ
Thomas E. Cheatham, III
(Wed Oct 20 2004 - 07:16:50 PDT)
AMBER: error in mm_pbsa
Xiao He
(Sat Oct 16 2004 - 02:12:41 PDT)
Re: AMBER: error in mm_pbsa
Wu Yingliang
(Sat Oct 16 2004 - 02:52:47 PDT)
Re: AMBER: error in mm_pbsa
Holger Gohlke
(Sat Oct 16 2004 - 06:53:36 PDT)
Re: Re: AMBER: error in mm_pbsa
Xiao He
(Sat Oct 16 2004 - 08:40:17 PDT)
AMBER: amber 8 error
Abd Ghani Abd Aziz
(Sat Oct 16 2004 - 02:19:38 PDT)
RE: AMBER: amber 8 error
Ross Walker
(Sat Oct 16 2004 - 22:20:34 PDT)
AMBER: amber 8 parallel problem
Abd Ghani Abd Aziz
(Sat Oct 16 2004 - 03:47:44 PDT)
RE: AMBER: amber 8 parallel problem
Ross Walker
(Sat Oct 16 2004 - 22:28:51 PDT)
RE: AMBER: amber 8 parallel problem
Ross Walker
(Sun Oct 17 2004 - 11:05:33 PDT)
AMBER: problem with antechamber
Cai, Yufeng
(Sun Oct 17 2004 - 19:04:28 PDT)
Re: AMBER: problem with antechamber
David A. Case
(Mon Oct 18 2004 - 13:14:29 PDT)
AMBER: More AMBER 8 compilation problems on OSF1 4.0F
Atro Tossavainen
(Mon Oct 18 2004 - 01:08:30 PDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F
David A. Case
(Mon Oct 18 2004 - 08:59:58 PDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F
Atro Tossavainen
(Mon Oct 18 2004 - 23:21:57 PDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F
M. L. Dodson
(Tue Oct 19 2004 - 05:22:32 PDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F
Atro Tossavainen
(Tue Oct 19 2004 - 05:39:21 PDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F
David A. Case
(Tue Oct 19 2004 - 07:48:52 PDT)
AMBER: Sander-7 for Win32
Vlad
(Tue Oct 19 2004 - 16:11:38 PDT)
Re: AMBER: Sander-7 for Win32
David A. Case
(Wed Oct 20 2004 - 16:03:49 PDT)
Re: AMBER: about AM1-BCC charge method
Natasja Brooijmans
(Mon Oct 18 2004 - 06:38:11 PDT)
Re: Re: AMBER: about AM1-BCC charge method
Xiao He
(Mon Oct 18 2004 - 06:59:43 PDT)
AMBER: Calculating H-Bond networks using ptraj
Thomas Steinbrecher
(Mon Oct 18 2004 - 07:12:05 PDT)
AMBER: file corruption with ptraj
Steve Seibold
(Mon Oct 18 2004 - 08:10:51 PDT)
Re: AMBER: file corruption with ptraj
Thomas E. Cheatham, III
(Mon Oct 18 2004 - 08:42:02 PDT)
Re: AMBER: file corruption with ptraj
cailliez
(Mon Oct 18 2004 - 08:32:32 PDT)
AMBER: const-P MD at high T
MURAT CETINKAYA
(Mon Oct 18 2004 - 08:27:49 PDT)
Re: AMBER: const-P MD at high T
Carlos Simmerling
(Mon Oct 18 2004 - 09:25:52 PDT)
Re: AMBER: const-P MD at high T
MURAT CETINKAYA
(Mon Oct 18 2004 - 09:52:11 PDT)
Re: AMBER: const-P MD at high T
Carlos Simmerling
(Mon Oct 18 2004 - 10:22:48 PDT)
Re: AMBER: const-P MD at high T
Bill Ross
(Mon Oct 18 2004 - 12:16:26 PDT)
Re: AMBER: const-P MD at high T
Bill Ross
(Mon Oct 18 2004 - 10:47:58 PDT)
Re: AMBER: const-P MD at high T
MURAT CETINKAYA
(Mon Oct 18 2004 - 11:13:07 PDT)
Re: AMBER: const-P MD at high T
Carlos Simmerling
(Mon Oct 18 2004 - 11:29:35 PDT)
Re: AMBER: const-P MD at high T
Bill Ross
(Mon Oct 18 2004 - 11:26:26 PDT)
AMBER: question on NAB
ioana.pegasus.arc.nasa.gov
(Mon Oct 18 2004 - 14:18:19 PDT)
Re: AMBER: question on NAB
David A. Case
(Tue Oct 19 2004 - 08:06:50 PDT)
AMBER: question on NMR restrain
¬ǿ
(Mon Oct 18 2004 - 15:55:54 PDT)
Re: AMBER: question on NMR restrain
David A. Case
(Mon Oct 18 2004 - 18:30:30 PDT)
AMBER: error in using AM1-BCC charge by antechamber
Xiao He
(Mon Oct 18 2004 - 21:22:04 PDT)
AMBER: BOND energy during minimisation
cailliez
(Tue Oct 19 2004 - 00:53:47 PDT)
Re: AMBER: BOND energy during minimisation
Stef
(Tue Oct 19 2004 - 01:35:05 PDT)
Re: AMBER: BOND energy during minimisation
Carlos Simmerling
(Tue Oct 19 2004 - 04:21:28 PDT)
Re: AMBER: BOND energy during minimisation
David A. Case
(Tue Oct 19 2004 - 07:59:46 PDT)
Re: AMBER: BOND energy during minimisation
cailliez
(Tue Oct 19 2004 - 09:12:55 PDT)
Re: AMBER: BOND energy during minimisation
Carlos Simmerling
(Tue Oct 19 2004 - 10:33:52 PDT)
Re: AMBER: BOND energy during minimisation
cailliez
(Wed Oct 20 2004 - 00:16:26 PDT)
AMBER: amber 8 error
Abd Ghani Abd Aziz
(Tue Oct 19 2004 - 01:14:24 PDT)
Re: AMBER: amber 8 error
Abd Ghani Bin Abd Aziz
(Sat Oct 02 2004 - 02:26:10 PDT)
Re: AMBER: amber 8 error
Andreas Svrcek-Seiler
(Tue Oct 19 2004 - 02:00:59 PDT)
Re: AMBER: amber 8 error
Atro Tossavainen
(Tue Oct 19 2004 - 03:23:23 PDT)
Re: AMBER: amber 8 error
Carlos Simmerling
(Tue Oct 19 2004 - 04:22:37 PDT)
AMBER: MAXMASK problem
Qiang Lu
(Tue Oct 19 2004 - 10:19:54 PDT)
Re: AMBER: MAXMASK problem
David A. Case
(Tue Oct 19 2004 - 14:10:29 PDT)
Re: AMBER: MAXMASK problem
Qiang Lu
(Tue Oct 19 2004 - 15:25:03 PDT)
Re: AMBER: recovering total force array
Dave S Walker
(Tue Oct 19 2004 - 12:04:16 PDT)
Re: AMBER: recovering total force array
David A. Case
(Tue Oct 19 2004 - 14:26:31 PDT)
Re: AMBER: recovering total force array
Dave S Walker
(Tue Oct 19 2004 - 16:59:00 PDT)
AMBER: About STD in NMODE
Xiao He
(Wed Oct 20 2004 - 09:06:15 PDT)
AMBER: International PhD Symppozium "DECODING NATURE: HIERARCHY OF INTERACTIONS"
Vlad Cojocaru
(Wed Oct 20 2004 - 09:10:43 PDT)
AMBER: Question about Xleap
David LeBard
(Wed Oct 20 2004 - 15:28:28 PDT)
RE: AMBER: Question about Xleap
Ross Walker
(Fri Oct 22 2004 - 06:31:58 PDT)
AMBER: Wich CPU?
Joachim Reichelt
(Thu Oct 21 2004 - 02:34:26 PDT)
Re: AMBER: Wich CPU?
Robert Duke
(Thu Oct 21 2004 - 06:23:48 PDT)
AMBER: add charge error message: Number of electrons is odd
berry1027 Eric
(Fri Oct 22 2004 - 01:45:30 PDT)
Re: AMBER: add charge error message: Number of electrons is odd
David A. Case
(Fri Oct 22 2004 - 14:12:00 PDT)
AMBER:
Jiten
(Fri Oct 22 2004 - 08:17:15 PDT)
AMBER: MD problem (very long parhabs endless runtime)
Daniel Wetzler
(Sat Oct 23 2004 - 06:05:49 PDT)
RE: AMBER: MD problem (very long parhabs endless runtime)
Ross Walker
(Sat Oct 23 2004 - 09:57:39 PDT)
Re: AMBER: MD problem (very long parhabs endless runtime)
Daniel Wetzler
(Sat Oct 23 2004 - 11:16:12 PDT)
Re: AMBER: MD problem (very long parhabs endless runtime)
myang.vitamin.uni.cc
(Sat Oct 23 2004 - 11:35:59 PDT)
RE: AMBER: MD problem (very long parhabs endless runtime)
Ross Walker
(Sat Oct 23 2004 - 11:53:22 PDT)
Re: AMBER: MD problem (very long parhabs endless runtime)
Daniel Wetzler
(Sun Oct 24 2004 - 02:40:09 PDT)
AMBER: No radius for F atom in MM_PBSA
Xiao He
(Sun Oct 24 2004 - 06:30:48 PDT)
Re: AMBER: Amber: what different?
David A. Case
(Sun Oct 24 2004 - 07:17:47 PDT)
AMBER: continue for No radius for F atom in MM_PBSA
Xiao He
(Sun Oct 24 2004 - 07:40:21 PDT)
Re: AMBER: continue for No radius for F atom in MM_PBSA
Holger Gohlke
(Sun Oct 24 2004 - 13:06:15 PDT)
AMBER: parallel of sander_classic
Xioling Chuang
(Sun Oct 24 2004 - 22:57:16 PDT)
Re: AMBER: parallel of sander_classic
David A. Case
(Mon Oct 25 2004 - 06:17:44 PDT)
RE: AMBER: parallel of sander_classic
Ross Walker
(Mon Oct 25 2004 - 06:15:58 PDT)
Re: AMBER: parallel of sander_classic
Michael Crowley
(Tue Oct 26 2004 - 13:03:36 PDT)
AMBER: PMF
tang kwa
(Mon Oct 25 2004 - 04:59:22 PDT)
Re: AMBER: PMF
Carlos Simmerling
(Mon Oct 25 2004 - 05:14:19 PDT)
AMBER: long minimization in sander
MURAT CETINKAYA
(Mon Oct 25 2004 - 07:53:14 PDT)
RE: AMBER: long minimization in sander
Ross Walker
(Mon Oct 25 2004 - 08:11:29 PDT)
Re: AMBER: long minimization in sander
Bill Ross
(Mon Oct 25 2004 - 08:09:49 PDT)
Re: AMBER: long minimization in sander
MURAT CETINKAYA
(Mon Oct 25 2004 - 08:32:10 PDT)
RE: AMBER: long minimization in sander
Ross Walker
(Mon Oct 25 2004 - 17:03:19 PDT)
Re: AMBER: long minimization in sander
Bill Ross
(Mon Oct 25 2004 - 13:30:32 PDT)
AMBER: MM_PBSA reproduction of literature values and accuracy
Karl N. Kirschner
(Mon Oct 25 2004 - 10:41:34 PDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy
Carlos Simmerling
(Mon Oct 25 2004 - 10:53:50 PDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy
Karl N. Kirschner
(Tue Oct 26 2004 - 15:35:19 PDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy
Carlos Simmerling
(Tue Oct 26 2004 - 15:51:16 PDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy
Thomas Steinbrecher
(Tue Oct 26 2004 - 00:05:51 PDT)
AMBER: pure aromatic?
Cai, Yufeng
(Mon Oct 25 2004 - 14:16:06 PDT)
AMBER: No skew or curtosis when zero variance in moment
Xiao He
(Mon Oct 25 2004 - 21:55:08 PDT)
AMBER: Continued:No skew or curtosis when zero variance in moment
Xiao He
(Mon Oct 25 2004 - 22:02:31 PDT)
Re: AMBER: Continued:No skew or curtosis when zero variance in moment
Elijah Gregory
(Tue Oct 26 2004 - 06:48:55 PDT)
AMBER: AMBER 8 default is now HIS->HIE and not HIS->HID - typo?
Chris Moth
(Tue Oct 26 2004 - 13:24:05 PDT)
Re: AMBER: AMBER 8 default is now HIS->HIE and not HIS->HID - typo?
David A. Case
(Thu Oct 28 2004 - 09:50:34 PDT)
AMBER: how to neutralize the peptide
Ye Mei
(Tue Oct 26 2004 - 19:10:23 PDT)
Re: AMBER: how to neutralize the peptide
Joseph Nachman
(Wed Oct 27 2004 - 10:04:50 PDT)
Re: AMBER: how to neutralize the peptide
Chris Moth
(Wed Oct 27 2004 - 09:57:23 PDT)
AMBER: questions regarding JTREE
Annette Höglund
(Wed Oct 27 2004 - 08:37:06 PDT)
Re: AMBER: questions regarding JTREE
Bill Ross
(Wed Oct 27 2004 - 10:53:39 PDT)
AMBER: getting new box info
Vincent Bisetty
(Thu Oct 28 2004 - 07:25:51 PDT)
Re: AMBER: getting new box info
David A. Case
(Thu Oct 28 2004 - 07:39:07 PDT)
Re: AMBER: getting new box info
Melinda Layten
(Thu Oct 28 2004 - 08:46:57 PDT)
AMBER: a question on ntwx and ntwr
scopio
(Thu Oct 28 2004 - 07:42:14 PDT)
Re: AMBER: a question on ntwx and ntwr
Carlos Simmerling
(Thu Oct 28 2004 - 08:50:10 PDT)
AMBER: solvation free energies using mmpbsa
Karl N. Kirschner
(Thu Oct 28 2004 - 10:15:38 PDT)
Re: AMBER: solvation free energies using mmpbsa
FyD
(Thu Oct 28 2004 - 10:33:34 PDT)
Re: AMBER: solvation free energies using mmpbsa
Ray Luo
(Wed Oct 27 2004 - 21:06:07 PDT)
AMBER: icc 8.0 built antechamber
Scott Brozell
(Thu Oct 28 2004 - 10:24:02 PDT)
AMBER: trajectory file question?
opitz.che.udel.edu
(Thu Oct 28 2004 - 11:15:12 PDT)
Re: AMBER: trajectory file question?
Melinda Layten
(Thu Oct 28 2004 - 12:35:17 PDT)
AMBER: question about ptraj's Mask
Kun Song
(Thu Oct 28 2004 - 13:52:08 PDT)
Re: AMBER: question about ptraj's Mask
Viktor Hornak
(Thu Oct 28 2004 - 14:03:45 PDT)
Re: AMBER: question about ptraj's Mask
Kun Song
(Thu Oct 28 2004 - 14:10:34 PDT)
AMBER: sander gets stuck
MURAT CETINKAYA
(Fri Oct 29 2004 - 07:32:22 PDT)
RE: AMBER: sander gets stuck
Ross Walker
(Fri Oct 29 2004 - 07:52:43 PDT)
RE: AMBER: sander gets stuck
MURAT CETINKAYA
(Fri Oct 29 2004 - 08:11:15 PDT)
AMBER: Settings about frozen atoms in sander
Xiao He
(Fri Oct 29 2004 - 08:17:07 PDT)
Re: AMBER: Settings about frozen atoms in sander
Oliver Hucke
(Fri Oct 29 2004 - 09:54:10 PDT)
Re: AMBER: Settings about frozen atoms in sander
Jiten
(Fri Oct 29 2004 - 09:05:36 PDT)
AMBER: amber7 test on osx
Knut Langsetmo
(Fri Oct 29 2004 - 11:03:25 PDT)
Re: AMBER: amber7 test on osx
Michael Crowley
(Fri Oct 29 2004 - 11:31:09 PDT)
RE: AMBER: amber7 test on osx
Ross Walker
(Fri Oct 29 2004 - 11:38:31 PDT)
Re: AMBER: Settings about frozen atoms in sander
Bill Ross
(Fri Oct 29 2004 - 11:44:41 PDT)
AMBER: RSM fluctuation & residues
bybaker.itsa.ucsf.edu
(Fri Oct 29 2004 - 13:21:42 PDT)
AMBER: sander error
Xiao He
(Fri Oct 29 2004 - 23:49:17 PDT)
Re: AMBER: sander error
Jiten
(Sat Oct 30 2004 - 00:58:33 PDT)
Re: Re: AMBER: sander error
Xiao He
(Sat Oct 30 2004 - 01:19:15 PDT)
AMBER: MD after partially solvated
Xiao He
(Sat Oct 30 2004 - 19:52:51 PDT)
Re: AMBER: MD after partially solvated
Carlos Simmerling
(Sat Oct 30 2004 - 20:11:27 PDT)
AMBER: RSM & ptraj
bybaker.itsa.ucsf.edu
(Sat Oct 30 2004 - 23:13:10 PDT)
Re: AMBER: RSM & ptraj
Carlos Simmerling
(Sat Oct 30 2004 - 23:25:14 PDT)
Re: AMBER: RSM & ptraj
Elijah Gregory
(Sat Oct 30 2004 - 23:29:23 PDT)
AMBER: RSM fluctuation by residues
bybaker.itsa.ucsf.edu
(Sat Oct 30 2004 - 23:22:53 PDT)
AMBER: ptraj questions
Amber admin
(Sun Oct 31 2004 - 06:59:51 PST)
Re: AMBER: ptraj questions
Carlos Simmerling
(Sun Oct 31 2004 - 07:45:21 PST)
Re: AMBER: ptraj questions
Carlos Simmerling
(Sun Oct 31 2004 - 09:06:54 PST)
Re: AMBER: ptraj questions
Viktor Hornak
(Sun Oct 31 2004 - 11:39:48 PST)
AMBER: Re: RSM & ptraj
bybaker.itsa.ucsf.edu
(Sun Oct 31 2004 - 10:43:41 PST)
Last message date
:
Sun Oct 31 2004 - 18:53:00 PST
Archived on
: Wed Mar 17 2010 - 05:59:41 PDT
374 messages
sort by
: [
author
] [
date
] [
subject
] [
attachment
]
Custom Search
